2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide

C26H26N2O5 — CID 23131884

IUPAC2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(/C=C/C(=O)c2c(N3CCCCC3)c3ccccc3oc2=O)c1
InChIInChI=1S/C26H26N2O5/c1-32-17-23(30)27-19-9-7-8-18(16-19)12-13-21(29)24-25(28-14-5-2-6-15-28)20-10-3-4-11-22(20)33-26(24)31/h3-4,7-13,16H,2,5-6,14-15,17H2,1H3,(H,27,30)/b13-12+
InChIKeyNEAKLVKAGMYPNL-OUKQBFOZSA-N
MW446.50 g/mol
LogP4.26
Rot. Bonds7

About 2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide

2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide (PubChem CID 23131884) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide
PubChem CID23131884
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(/C=C/C(=O)c2c(N3CCCCC3)c3ccccc3oc2=O)c1
InChIInChI=1S/C26H26N2O5/c1-32-17-23(30)27-19-9-7-8-18(16-19)12-13-21(29)24-25(28-14-5-2-6-15-28)20-10-3-4-11-22(20)33-26(24)31/h3-4,7-13,16H,2,5-6,14-15,17H2,1H3,(H,27,30)/b13-12+
InChIKeyNEAKLVKAGMYPNL-OUKQBFOZSA-N
XLogP4.26
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 24832216
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N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide
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N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
CID 47296916
N-[3-[(E)-3-(2,4-dioxo-1H-quinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
CID 11603276
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 35334560
4-(diethylamino)-3-[3-[4-(diethylamino)phenyl]prop-2-enoyl]chromen-2-one
CID 54079008
4-hydroxy-3-[(E)-3-[3-(isocyanomethoxy)phenyl]prop-2-enoyl]chromen-2-one
CID 59008832

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide (CID 23131884) is 2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide is COCC(=O)Nc1cccc(/C=C/C(=O)c2c(N3CCCCC3)c3ccccc3oc2=O)c1.
What is the InChIKey of 2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide?
The InChIKey is NEAKLVKAGMYPNL-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-32-17-23(30)27-19-9-7-8-18(16-19)12-13-21(29)24-25(28-14-5-2-6-15-28)20-10-3-4-11-22(20)33-26(24)31/h3-4,7-13,16H,2,5-6,14-15,17H2,1H3,(H,27,30)/b13-12+.
What are the key properties of 2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide?
2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide has a molecular weight of 446.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[(E)-3-oxo-3-(2-oxo-4-piperidin-1-ylchromen-3-yl)prop-1-enyl]phenyl]acetamide is sourced from PubChem (CID 23131884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).